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Compound Detail

CHEMBL354154

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Cc1ccc2[nH]c(CN3CCN(Cc4ccc5c(N)ncnc5c4)C(=O)C3)nc2c1

Basic Information

ChEMBL ID CHEMBL354154
Phase Preclinical
Structure Type MOL
InChI Key RJTCYARNUWJSCC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

401.5
MW (Da)
2.24
ALogP
6
HBA
2
HBD
104.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23N7O
MW 401.47
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.63

Activity Summary

Ki 1 meas. best 6.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Coagulation factor X
CHEMBL244
Ki 6.92 6.92 120.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Coagulation factor X Ki = 120.0 nM 6.92 Inhibition of Coagulation factor Xa 11958994

Literature References

PubMed DOI Target Context # Activities
11958994 10.1016/s0960-894x(02)00056-2 Coagulation factor X 1

Data from ChEMBL 36 via Core Engine